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5-Chlorothiazole-2-carboxamide

CAT: 0926-YDA02707-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YDA02707-01Size:50 mg
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CAS Number
98027-07-7
MDL Number
MFCD20703482
Smiles
C1=C (SC (=N1) C (=O) N) Cl
Molecular Formula
C4H3ClN2OS
Molecular Weight
162.6 g/mol
Controlled
No

Chemical Information

5-Chlorothiazole-2-carboxamide
CAS Number98027-07-7
PubChem CID22497227
IUPAC Name5-chloro-1,3-thiazole-2-carboxamide
Molecular FormulaC4H3ClN2OS
Molecular Weight162.60
XLogP1.1
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity132
SMILES
C1=C(SC(=N1)C(=O)N)Cl
InChI
InChI=1S/C4H3ClN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8)
InChIKey
LIPUYXJOQDUKPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chlorothiazole-2-carboxamide
CAS: 98027-07-7
CID: 22497227
Formula: C4H3ClN2OS
MW: 162.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.60
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass161.9654616
Monoisotopic Mass161.9654616
Topological Polar Surface Area84.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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